5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride

C16H20Cl2N4O — CID 119536414

IUPAC5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O.ClH/c17-13-3-1-2-12(8-13)15-14(10-20-21-15)16(22)19-7-5-11-4-6-18-9-11;/h1-3,8,10-11,18H,4-7,9H2,(H,19,22)(H,20,21);1H
InChIKeyASRMRXAGVQAZPR-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.88
Rot. Bonds5

About 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride

5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 119536414) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID119536414
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O.ClH/c17-13-3-1-2-12(8-13)15-14(10-20-21-15)16(22)19-7-5-11-4-6-18-9-11;/h1-3,8,10-11,18H,4-7,9H2,(H,19,22)(H,20,21);1H
InChIKeyASRMRXAGVQAZPR-UHFFFAOYSA-N
XLogP2.88
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119552969
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
CID 119557122
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride (CID 119536414) is 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1cn[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is ASRMRXAGVQAZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.ClH/c17-13-3-1-2-12(8-13)15-14(10-20-21-15)16(22)19-7-5-11-4-6-18-9-11;/h1-3,8,10-11,18H,4-7,9H2,(H,19,22)(H,20,21);1H.
What are the key properties of 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119536414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).